Geometry & MOs

Info

ID:	187619
PubChem CID:	77598148
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	393.146425
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	5.67
IP(EA), eV:	-8.42(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(2,5-difluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC2C3CCC(CC3NN2)C4=CC=C(C=C4)F

DOS

IR

Vibrations